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- From: <mozhganamini@yahoo.com>
- To: forum@abinit.org
- Subject: [abinit-forum] convergence study
- Date: Thu, 18 Sep 2008 11:34:28 +0200
Dear all,
I have done convergence study for acell in PbTiO3 and the result for
acell(4.01) is more than it's experimental value(3.96).but in most papers
which
I observed the theoretical results are smaller than the experimental ones.
now I'd like to know is it possible to get larger values for lattice constants
than the experimental ones?
Thanks alot in advance
- [abinit-forum] convergence study, mozhganamini, 09/18/2008
- Re: [abinit-forum] convergence study, matthieu verstraete, 09/18/2008
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